Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples. Issue 25 (7th February 2018)

• Record Type: Journal Article
• Authors: Puig-Castellví, Francesc; Pérez, Yolanda; Piña, Benjamín; Tauler, Romà; Alfonso, Ignacio
• Is Part Of: Chemical communications. Volume 54:Issue 25(2018)
• Page Start: 3090
• Page End: 3093
• Publication Date: 2018-02-07
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/c7cc09891j
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : A variable-filtering approach of multidimensional NMR spectral data is proposed. Filtered data keeps resonance information and original spectral resolution. The denoised data can be easily peak-picked and integrated, allowing a fast and accurate NMR analysis. Abstract : We propose an approach to efficiently compress and denoise multidimensional NMR spectral data, improving their corresponding storage, handling, and analysis. This method has been tested with 2D homonuclear, 2D and 3D heteronuclear, and 2D phase-sensitive NMR spectral data and shown to be especially powerful for 2D NMR metabolomics studies.